An Evolutionary Approach to Drug-Design Using Quantam Binary Particle Swarm Optimization Algorithm

The present work provides a new approach to evolve ligand structures which represent possible drug to be docked to the active site of the target protein. The structure is represented as a tree where each non-empty node represents a functional group. It is assumed that the active site configuration of the target protein is known with position of the essential residues. In this paper the interaction energy of the ligands with the protein target is minimized. Moreover, the size of the tree is difficult to obtain and it will be different for different active sites. To overcome the difficulty, a variable tree size configuration is used for designing ligands. The optimization is done using a quantum discrete PSO. The result using fixed length and variable length configuration are compared.Comment: 4 pages, 6 figures (Published in IEEE SCEECS 2012). arXiv admin note: substantial text overlap with arXiv:1205.641

Scalable Indium Phosphide Thin-Film Nanophotonics Platform for Photovoltaic and Photoelectrochemical Devices

Recent developments in nanophotonics have provided a clear roadmap for improving the efficiency of photonic devices through control over absorption and emission of devices. These advances could prove transformative for a wide variety of devices, such as photovoltaics, photoelectrochemical devices, photodetectors, and light-emitting diodes. However, it is often challenging to physically create the nanophotonic designs required to engineer the optical properties of devices. Here, we present a platform based on crystalline indium phosphide that enables thin-film nanophotonic structures with physical morphologies that are impossible to achieve through conventional state-of-the-art material growth techniques. Here, nanostructured InP thin films have been demonstrated on non-epitaxial alumina inverted nanocone (i-cone) substrates <i>via</i> a low-cost and scalable thin-film vapor–liquid–solid growth technique. In this process, indium films are first evaporated onto the i-cone structures in the desired morphology, followed by a high-temperature step that causes a phase transformation of the indium into indium phosphide, preserving the original morphology of the deposited indium. Through this approach, a wide variety of nanostructured film morphologies are accessible using only control over evaporation process variables. Critically, the as-grown nanotextured InP thin films demonstrate excellent optoelectronic properties, suggesting this platform is promising for future high-performance nanophotonic devices

Direct growth of single-crystalline III-V semiconductors on amorphous substrates.

The III-V compound semiconductors exhibit superb electronic and optoelectronic properties. Traditionally, closely lattice-matched epitaxial substrates have been required for the growth of high-quality single-crystal III-V thin films and patterned microstructures. To remove this materials constraint, here we introduce a growth mode that enables direct writing of single-crystalline III-V's on amorphous substrates, thus further expanding their utility for various applications. The process utilizes templated liquid-phase crystal growth that results in user-tunable, patterned micro and nanostructures of single-crystalline III-V's of up to tens of micrometres in lateral dimensions. InP is chosen as a model material system owing to its technological importance. The patterned InP single crystals are configured as high-performance transistors and photodetectors directly on amorphous SiO2 growth substrates, with performance matching state-of-the-art epitaxially grown devices. The work presents an important advance towards universal integration of III-V's on application-specific substrates by direct growth

Direct growth of single-crystalline III-V semiconductors on amorphous substrates.

The III-V compound semiconductors exhibit superb electronic and optoelectronic properties. Traditionally, closely lattice-matched epitaxial substrates have been required for the growth of high-quality single-crystal III-V thin films and patterned microstructures. To remove this materials constraint, here we introduce a growth mode that enables direct writing of single-crystalline III-V's on amorphous substrates, thus further expanding their utility for various applications. The process utilizes templated liquid-phase crystal growth that results in user-tunable, patterned micro and nanostructures of single-crystalline III-V's of up to tens of micrometres in lateral dimensions. InP is chosen as a model material system owing to its technological importance. The patterned InP single crystals are configured as high-performance transistors and photodetectors directly on amorphous SiO2 growth substrates, with performance matching state-of-the-art epitaxially grown devices. The work presents an important advance towards universal integration of III-V's on application-specific substrates by direct growth